Chemical Components in the PDB

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7JX : Summary

Code

7JX

One-letter code

X

Molecule name

6-bromanyl-3-chloranyl-quinolin-8-ol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 6-bromanyl-3-chloranyl-quinolin-8-ol

Formula

C9 H5 Br Cl N O

Formal charge

0

Molecular weight

258.499 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Oc1cc(Br)cc2cc(Cl)cnc12
SMILES OpenEye OEToolkits 2.0.6 c1c2cc(cnc2c(cc1Br)O)Cl
Canonical SMILES CACTVS 3.385 Oc1cc(Br)cc2cc(Cl)cnc12
Canonical SMILES OpenEye OEToolkits 2.0.6 c1c2cc(cnc2c(cc1Br)O)Cl

IUPAC InChI

InChI=1S/C9H5BrClNO/c10-6-1-5-2-7(11)4-12-9(5)8(13)3-6/h1-4,13H

IUPAC InChI key

IYXNDLZQIYAJTB-UHFFFAOYSA-N
7JX

wwPDB Information

Atom count

18 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-11-02

Last modified at

2017-11-17

Status

Released

Obsoleted

Not Assigned